1-butyl-4-[4-(4-hexoxyphenyl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-butyl-4-[4-(4-hexoxyphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-(4-hexoxyphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-(4-hexoxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-(4-hexoxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-butyl-4-[4-(4-hexoxyphenyl)phenyl]cyclohexanecarbonitrile Formula: C29H39NO MolecularWeight: 417.62606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

InChI

InChI=1S/C29H39NO/c1-3-5-7-8-22-31-28-15-13-26(14-16-28)24-9-11-25(12-10-24)27-17-20-29(23-30,21-18-27)19-6-4-2/h9-16,27H,3-8,17-22H2,1-2H3